UCSF

ZINC37989089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.24 5.63 -14.74 1 7 0 82 264.285 6
Mid Mid (pH 6-8) -0.24 6.99 -58.55 2 7 1 87 265.293 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )